SCHEMBL16155356

SCHEMBL16155356

Nc1cccc(-c2cn(CCCNC(=O)O)nn2)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 13/20 0.53
HDAC4 P56524 13/20 0.53
HDAC1 Q13547 13/20 0.53
HDAC7 Q8WUI4 13/20 0.53
HDAC2 Q92769 13/20 0.53
HDAC10 Q969S8 13/20 0.53
HDAC11 Q96DB2 13/20 0.53
HDAC8 Q9BY41 13/20 0.53
HDAC6 Q9UBN7 13/20 0.53
HDAC9 Q9UKV0 13/20 0.53
HDAC5 Q9UQL6 13/20 0.53
UCHL5 Q9Y5K5 1/20 0.50
NAMPT P43490 1/20 0.48
TEK Q02763 2/20 0.47
KDR P35968 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16155169 0.97 HDAC3 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL16155361 0.95 HDAC3 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL16238536 0.93 UCHL5 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL16155383 0.81 UCHL5 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL16068165 0.79 TEK (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL460447 0.79 TEK (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL16775813 0.77 UCHL5 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL16155382 0.77 UCHL5 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL16155170 0.77 NAMPT (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14987759 0.76 TEK (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014165792-A2 MACROLIDES AND METHODS OF THEIR PREPARATION AND USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-10-09 WO disclosed